ethanedioic acid; 1-(4-ethylpiperazin-1-yl)-3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)isoquinoline

Systemtic Name: ethanedioic acid; 1-(4-ethylpiperazin-1-yl)-3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)isoquinoline Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-(6-methoxyindan-1-yl)isoquinoline; oxalic acid CAS Name: 1-(4-ethyl-1-piperazinyl)-3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)isoquinoline; oxalic acid IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)isoquinoline; oxalic acid Traditional Name: 1-(4-ethylpiperazino)-3-(6-methoxyindan-1-yl)isoquinoline; oxalic acid Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4CCC5=C4C=C(C=C5)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4CCC5=C4C=C(C=C5)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H29N3O.C2H2O4/c1-3-27-12-14-28(15-13-27)25-21-7-5-4-6-19(21)16-24(26-25)22-11-9-18-8-10-20(29-2)17-23(18)22;3-1(4)2(5)6/h4-8,10,16-17,22H,3,9,11-15H2,1-2H3;(H,3,4)(H,5,6)